BioLiP

PDB

BioLiP

PDB CCD ID:

CUD

Number of entries in BioLiP:

Chemical formula:

C7 H10 N4 O3

InChI:

InChI=1S/C7H10N4O3/c8-4(6(12)13)3-11-2-1-5(9)10-7(11)14/h1-2,4H,3,8H2,(H,12,13)(H2,9,10,14)/t4-/m1/s1

InChIKey:

XRUZZWBPZICCSB-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)N=C1N)CC(C(=O)O)N
CACTVS 3.341	N[C@H](CN1C=CC(=NC1=O)N)C(O)=O
ACDLabs 10.04	O=C1N=C(C=CN1CC(C(=O)O)N)N
CACTVS 3.341	N[CH](CN1C=CC(=NC1=O)N)C(O)=O
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)N=C1N)C[C@H](C(=O)O)N

Name:

3-(4-amino-2-oxopyrimidin-1(2H)-yl)-D-alanine

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).